FTIR spectroscopy

FTIR 光谱
  • 文章类型: Journal Article
    机器学习(ML)是一个广泛的术语,涵盖了几种允许我们从数据中学习的方法。这些方法可以允许将大型现实世界数据库更快速地转换为应用程序以通知患者提供者决策。本文介绍了在2019-2023年间使用傅里叶变换红外(FTIR)光谱和ML进行人体血液分析的文章。进行了文献综述,以确定已发表的与FTIR相关的ML研究,以区分病理性和健康人血细胞。实施了文章搜索策略,并对符合资格标准的研究进行了评估。与研究设计相关的相关数据,统计方法,并确定了优势和局限性。在过去5年(2019-2023年)中,共确定并评估了39篇出版物。不同的方法,统计软件包,和方法在确定的研究中使用。最常见的方法包括支持向量机(SVM)和主成分分析(PCA)方法。大多数研究应用了内部验证,并采用了不止一种算法,而只有四项研究对数据应用了一种ML算法。各种各样的方法,算法,统计软件,并在ML方法的应用中采用了验证策略。需要确保使用多种ML方法,模型选择策略明确,内部和外部验证都是必要的,以确保人类血细胞的辨别是以最高有效的证据进行的。
    Machine learning (ML) is a broad term encompassing several methods that allow us to learn from data. These methods may permit large real-world databases to be more rapidly translated to applications to inform patient-provider decision-making. This paper presents a review of articles that discuss the use of Fourier transform infrared (FTIR) spectroscopy and ML for human blood analysis between the years 2019-2023. The literature review was conducted to identify published research of employed ML linked with FTIR for distinction between pathological and healthy human blood cells. The articles\' search strategy was implemented and studies meeting the eligibility criteria were evaluated. Relevant data related to the study design, statistical methods, and strengths and limitations were identified. A total of 39 publications in the last 5 years (2019-2023) were identified and evaluated for this review. Diverse methods, statistical packages, and approaches were used across the identified studies. The most common methods included support vector machine (SVM) and principal component analysis (PCA) approaches. Most studies applied internal validation and employed more than one algorithm, while only four studies applied one ML algorithm to the data. A wide variety of approaches, algorithms, statistical software, and validation strategies were employed in the application of ML methods. There is a need to ensure that multiple ML approaches are used, the model selection strategy is clearly defined, and both internal and external validation are necessary to be sure that the discrimination of human blood cells is being made with the highest efficient evidence.
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  • 文章类型: Journal Article
    冠状病毒大流行自爆发以来,在各个系统中对人类健康构成了巨大威胁,及早发现和防止进一步升级已成为当务之急。目前流行的方法是用鼻咽拭子法采集样本,然后用实时聚合酶链反应检测RNA,其遭受假阳性结果和更长的诊断时间尺度。或者,各种光学技术,即,光学传感,光谱学,成像在病毒检测中显示出巨大的前景。在这个迷你评论中,简要综述了振动光谱技术的研究进展及其在SARS-CoV家族检测中的应用。振动光谱技术如拉曼光谱和红外光谱在生物分析方面因其速度而受到越来越多的赞赏,SARS-CoV检测的准确性和成本效益。Further,还解释了SARS-CoV-2检测的新兴光子学技术以及未来的可能性。病毒检测振动光谱技术领域的进展无疑在开发基于光子学的快速COVID-19检测设备方面显示出巨大的前景。
    Coronavirus pandemic has been a huge jeopardy to human health in various systems since it outbroke, early detection and prevention of further escalation has become a priority. The current popular approach is to collect samples using the nasopharyngeal swab method and then test for RNA using the real-time polymerase chain reaction, which suffers from false-positive results and a longer diagnostic time scale. Alternatively, various optical techniques, namely, optical sensing, spectroscopy, and imaging shows a great promise in virus detection. In this mini review, we briefly summarize the development progress of vibrational spectroscopy techniques and its applications in the detection of SARS-CoV family. Vibrational spectroscopy techniques such as Raman spectroscopy and infrared spectroscopy received increasing appreciation in bio-analysis for their speediness, accuracy and cost-effectiveness in detection of SARS-CoV. Further, an account of emerging photonics technologies of SARS-CoV-2 detection and future possibilities is also explained. The progress in the field of vibrational spectroscopy techniques for virus detection unambiguously show a great promise in the development of rapid photonics-based devices for COVID-19 detection.
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  • 文章类型: Journal Article
    In 2020, approximately 10 million people died of cancer, rendering this disease the second leading cause of death worldwide. Detecting cancer in its early stages is paramount for patients\' prognosis and survival. Hence, the scientific and medical communities are engaged in improving both therapeutic strategies and diagnostic methodologies, beyond prevention. Optical vibrational spectroscopy has been shown to be an ideal diagnostic method for early cancer diagnosis and surgical margins assessment, as a complement to histopathological analysis. Being highly sensitive, non-invasive and capable of real-time molecular imaging, Raman and Fourier transform infrared (FTIR) spectroscopies give information on the biochemical profile of the tissue under analysis, detecting the metabolic differences between healthy and cancerous portions of the same sample. This constitutes tremendous progress in the field, since the cancer-prompted morphological alterations often occur after the biochemical imbalances in the oncogenic process. Therefore, the early cancer-associated metabolic changes are unnoticed by the histopathologist. Additionally, Raman and FTIR spectroscopies significantly reduce the subjectivity linked to cancer diagnosis. This review focuses on breast and head and neck cancers, their clinical needs and the progress made to date using vibrational spectroscopy as a diagnostic technique prior to surgical intervention and intraoperative margin assessment.
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  • 文章类型: Journal Article
    油炸食品因其独特的口味和质地而受到消费者的欢迎。在油炸过程中,油经受高温,导致产生有害化合物。重复使用煎炸油是一种常见的运动,并与各种健康危害有关。因此,测定煎炸油的质量是一个关键的做法遵循。用于确定煎炸油质量的化学方法具有破坏性,需要大量有害化学物质,因此,研究人员正在探索各种振动光谱技术的应用。本综述的第一部分详细介绍了两种主要振动光谱技术(红外和拉曼光谱)和热应力下煎炸油的化学变化的基本理论方面。在以下部分,讨论了近红外(NIR)和傅里叶变换红外(FTIR)和拉曼光谱在评估热应力下各种油炸油脂质量中的应用。预计这篇综述论文可以作为该领域即将进行的研究的参考来源。
    Deep fried foods are popular among consumers due to their unique taste and texture. During the process of deep-frying, oil is subjected to a high temperature that results into the generation of harmful compounds. The repeated usage of frying oil is a common exercise and associated with various health hazards. Thus, determination of frying oil quality is a critical practice to follow. The chemical methods employed to determine the quality of frying oil are destructive and require large amount of harmful chemical, thus researchers are exploring the application of various vibrational spectroscopic techniques for this purpose. The first part of this review provides a detailed insight into fundamental theoretical aspects of two main vibrational spectroscopic techniques (infrared and Raman spectroscopy) and chemical alteration in frying oils under thermal stress. While in the following parts, the application of near-infrared (NIR) and Fourier transform infrared (FTIR) and Raman spectroscopy for evaluating the quality of various frying oils and fats under thermal stress has been discussed. It is anticipated that this review paper can serve as a reference source for impending research in this field.
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  • 文章类型: Historical Article
    The dating of organic findings is a fundamental task for many scientific fields. Radiocarbon dating is currently the most commonly used method. For wood, dendrochronology is another state-of-the-art method. Both methods suffer from systematic restrictions, leading to samples that have not yet been able to be dated. Molecular changes over time are reported for many materials under different preservation conditions. Many of them are intrinsically monotonous. These monotonous molecular decay (MD) patterns can be understood as clocks that start at the time when a given molecule was formed. Factors that influence these clocks include input material composition and preservation conditions. Different wood species, degrees of pyrolysis, and pretreatments lead to different prediction models. Preservation conditions might change the speed of a given clock and lead to different prediction models. Currently published models for predicting the age of wood, paper, and parchment depend on infrared spectroscopy. In contrast to radiocarbon dating, dating via MD does not comprise a single methodology. Some clocks may deliver less precise results than the others. Ultimately, developing a completely different, new dating strategy-such as MD dating-will help to bring to light a treasure trove of information hidden in the darkness of organic findings.
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  • 文章类型: Journal Article
    目前,食用油脂的鉴定分析不仅是生产者的一个新兴问题,也是食品工业的一个新兴问题,监管者,和消费者。高质量和昂贵的食用脂肪和油以及含有较低脂肪和油的食品的掺假通常是出于经济原因。一些分析方法已用于食品的认证分析,但其中一些取样准备复杂,涉及复杂的仪器。因此,为了这些认证目的,提出并开发了简单可靠的方法。这篇评论重点介绍了有关红外光谱与化学计量学在油脂认证中的应用的综合报道。这篇综述的新发现包括(1)FTIR光谱与化学计量学相结合,已用于鉴定油脂;(2)由于作为指纹分析工具,FTIR光谱已成为用于脂肪和油的认证分析的最多报道的分析技术;(3)使用化学计量学作为分析数据处理是必须从FTIR光谱中提取信息才能理解的数据。接下来,必须提出将FTIR光谱与化学计量学相结合的方法,开发,并标准化以认证和确保油脂的质量。
    Currently, the authentication analysis of edible fats and oils is an emerging issue not only by producers but also by food industries, regulators, and consumers. The adulteration of high quality and expensive edible fats and oils as well as food products containing fats and oils with lower ones are typically motivated by economic reasons. Some analytical methods have been used for authentication analysis of food products, but some of them are complex in sampling preparation and involving sophisticated instruments. Therefore, simple and reliable methods are proposed and developed for these authentication purposes. This review highlighted the comprehensive reports on the application of infrared spectroscopy combined with chemometrics for authentication of fats and oils. New findings of this review included (1) FTIR spectroscopy combined with chemometrics, which has been used to authenticate fats and oils; (2) due to as fingerprint analytical tools, FTIR spectra have emerged as the most reported analytical techniques applied for authentication analysis of fats and oils; (3) the use of chemometrics as analytical data treatment is a must to extract the information from FTIR spectra to be understandable data. Next, the combination of FTIR spectroscopy with chemometrics must be proposed, developed, and standardized for authentication and assuring the quality of fats and oils.
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  • 文章类型: Journal Article
    蘑菇的化学成分在很大程度上取决于地理区域,同样的蘑菇的不同部分也有不同的化学成分。几种化学方法用于蘑菇的质量控制。然而,这些方法具有破坏性,需要熟练的人员和耗时。为了克服这些限制,研究人员的目标是振动光谱技术。这篇综述集中在与振动光谱学在分类中的应用相关的各种研究,蘑菇的认证和质量分析。结论是振动光谱可以有效地用于质量评估,蘑菇的真实性和地理来源。傅里叶变换红外(FTIR)和近红外(NIR)光谱是探索最多的,然而,拉曼光谱是该领域中探索最少的技术。基于选择性波长的紧凑且具有成本效益的光谱仪必须在商业和工业水平上进行设计和安装,以快速控制蘑菇的质量。
    Chemical compositions of mushrooms are greatly dependent on the geographical region, and also the different parts of the same mushroom have different chemical constitutions. Several chemical methods are employed for quality control of mushrooms. However, these methods are destructive, require skilled personnel and are time consuming. To overcome these limitations researchers are aiming for vibrational spectroscopic techniques. This review is focused on various studies related to the application of vibrational spectroscopy for classification, authentication and quality analysis of mushrooms. It was concluded that vibrational spectroscopy could be efficiently employed for assessing the quality, authenticity and geographical origin of the mushrooms. Fourier-transform infrared (FTIR) and near infrared (NIR) spectroscopy were the most explored, whereas, Raman spectroscopy is the least explored technique in this field. Compact and cost-effective spectrometers based on the selective wavelengths have to be designed and installed at commercial and industrial level for rapid quality control of mushrooms.
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